(2R)-2-(naphthalene-1-carbonyl)-2,3-dihydropyran-4-one

C16H12O3 — CID 177480692

IUPAC(2R)-2-(naphthalene-1-carbonyl)-2,3-dihydropyran-4-one
SMILESO=C1C=CO[C@@H](C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C16H12O3/c17-12-8-9-19-15(10-12)16(18)14-7-3-5-11-4-1-2-6-13(11)14/h1-9,15H,10H2/t15-/m1/s1
InChIKeyVKIVCVPWCOZZPA-OAHLLOKOSA-N
MW252.27 g/mol
LogP2.89
Rot. Bonds2

About (2R)-2-(naphthalene-1-carbonyl)-2,3-dihydropyran-4-one

(2R)-2-(naphthalene-1-carbonyl)-2,3-dihydropyran-4-one (PubChem CID 177480692) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is (2R)-2-(naphthalene-1-carbonyl)-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2R)-2-(naphthalene-1-carbonyl)-2,3-dihydropyran-4-one
PubChem CID177480692
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name(2R)-2-(naphthalene-1-carbonyl)-2,3-dihydropyran-4-one
SMILESO=C1C=CO[C@@H](C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C16H12O3/c17-12-8-9-19-15(10-12)16(18)14-7-3-5-11-4-1-2-6-13(11)14/h1-9,15H,10H2/t15-/m1/s1
InChIKeyVKIVCVPWCOZZPA-OAHLLOKOSA-N
XLogP2.89
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(naphthalene-1-carbonyl)-2,3-dihydropyran-4-one?
The IUPAC name of (2R)-2-(naphthalene-1-carbonyl)-2,3-dihydropyran-4-one (CID 177480692) is (2R)-2-(naphthalene-1-carbonyl)-2,3-dihydropyran-4-one.
What is the SMILES notation for (2R)-2-(naphthalene-1-carbonyl)-2,3-dihydropyran-4-one?
The canonical SMILES for (2R)-2-(naphthalene-1-carbonyl)-2,3-dihydropyran-4-one is O=C1C=CO[C@@H](C(=O)c2cccc3ccccc23)C1.
What is the InChIKey of (2R)-2-(naphthalene-1-carbonyl)-2,3-dihydropyran-4-one?
The InChIKey is VKIVCVPWCOZZPA-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H12O3/c17-12-8-9-19-15(10-12)16(18)14-7-3-5-11-4-1-2-6-13(11)14/h1-9,15H,10H2/t15-/m1/s1.
What are the key properties of (2R)-2-(naphthalene-1-carbonyl)-2,3-dihydropyran-4-one?
(2R)-2-(naphthalene-1-carbonyl)-2,3-dihydropyran-4-one has a molecular weight of 252.27 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(naphthalene-1-carbonyl)-2,3-dihydropyran-4-one is sourced from PubChem (CID 177480692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).